3-hydroxy-2-methylidenepentanoic acid

C6H10O3 — CID 15082519

IUPAC3-hydroxy-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(O)CC
InChIInChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h5,7H,2-3H2,1H3,(H,8,9)
InChIKeyFTFIOMRCOSXJJY-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.40
Rot. Bonds3

About 3-hydroxy-2-methylidenepentanoic acid

3-hydroxy-2-methylidenepentanoic acid (PubChem CID 15082519) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-hydroxy-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methylidenepentanoic acid
PubChem CID15082519
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-hydroxy-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(O)CC
InChIInChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h5,7H,2-3H2,1H3,(H,8,9)
InChIKeyFTFIOMRCOSXJJY-UHFFFAOYSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylidenepentanoic acid?
The IUPAC name of 3-hydroxy-2-methylidenepentanoic acid (CID 15082519) is 3-hydroxy-2-methylidenepentanoic acid.
What is the SMILES notation for 3-hydroxy-2-methylidenepentanoic acid?
The canonical SMILES for 3-hydroxy-2-methylidenepentanoic acid is C=C(C(=O)O)C(O)CC.
What is the InChIKey of 3-hydroxy-2-methylidenepentanoic acid?
The InChIKey is FTFIOMRCOSXJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-hydroxy-2-methylidenepentanoic acid?
3-hydroxy-2-methylidenepentanoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylidenepentanoic acid is sourced from PubChem (CID 15082519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).